| Properties | Image |
|---|
| MNX_ID | MNXM169430 |
 |
| reference | sabiorkM:29766 |
| formula | C25H25N3O6 |
| global charge | 0 |
| mol weight | 463.49 |
| InChIKey | YWOXKKRKNGWXEG-FQEVSTJZSA-N |
| InChI | InChI=1S/C25H25N3O6/c1-16-12-23(30)34-21-13-18(9-10-19(16)21)27-24(31)20-8-5-11-28(20)22(29)14-26-25(32)33-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1H3,(H,26,32)(H,27,31)/t20-/m0/s1 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)OCC1=CC=CC=C1)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C25H25N3O6/c1-16-12-23(30)34-21-13-18(9-10-19(16)21)27-24(31)20-8-5-11-28(20)22(29)14-26-25(32)33-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1H3,(H,26,32)(H,27,31)/t20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16]1=[CH:12][C:23](=[O:30])[O:34][C:21]2=[C:19]1[CH:10]=[CH:9][C:18]([N:27]=[C:24]([C@@H:20]1[CH2:8][CH2:5][CH2:11][N:28]1[C:22]([CH2:14][N:26]=[C:25]([OH:32])[O:33][CH2:15][C:17]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)=[O:29])[OH:31])=[CH:13]2 |
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